CAS 146-78-1 | Adenosine, 2-fluoro- | CAS Number 146-78-1

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146-78-1 | Adenosine, 2-fluoro-

CAS No: 146-78-1 Catalog No: AG001DM5 MDL No:MFCD00866394

Product Description

Catalog Number:

AG001DM5

Chemical Name:

Adenosine, 2-fluoro-

CAS Number:

146-78-1

Molecular Formula:

C10H12FN5O4

Molecular Weight:

285.2318

MDL Number:

MFCD00866394

IUPAC Name:

(2R,3R,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

InChI:

InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1

InChI Key:

HBUBKKRHXORPQB-UUOKFMHZSA-N

SMILES:

OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(F)nc2N

UNII:

0S67290CRJ

Properties

Complexity:

367

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

285.087g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

285.235g/mol

Monoisotopic Mass:

285.087g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

140A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.6

Literature

Title	Journal
Insights into phosphate cooperativity and influence of substrate modifications on binding and catalysis of hexameric purine nucleoside phosphorylases.	PloS one 20120101
In vitro assessment of anticryptosporidial efficacy and cytotoxicity of adenosine analogues using a SYBR Green real-time PCR method.	The Journal of antimicrobial chemotherapy 20110301
[The preparative method for 2-fluoroadenosine synthesis].	Bioorganicheskaia khimiia 20090101
Characterization of an engineered human purine nucleoside phosphorylase fused to an anti-her2/neu single chain Fv for use in ADEPT.	Journal of experimental & clinical cancer research : CR 20090101
Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors.	Protein science : a publication of the Protein Society 20081201
High resolution crystal structures of Mycobacterium tuberculosis adenosine kinase: insights into the mechanism and specificity of this novel prokaryotic enzyme.	The Journal of biological chemistry 20070914
[(3)H]Adenine is a suitable radioligand for the labeling of G protein-coupled adenine receptors but shows high affinity to bacterial contaminations in buffer solutions.	Purinergic signalling 20070901
Nicotinamide 2-fluoroadenine dinucleotide unmasks the NAD+ glycohydrolase activity of Aplysia californica adenosine 5'-diphosphate ribosyl cyclase.	Biochemistry 20070403
Biodistribution and PET imaging of [(18)F]-fluoroadenosine derivatives.	Nuclear medicine and biology 20070401
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Identification of a subversive substrate of Trichomonas vaginalis purine nucleoside phosphorylase and the crystal structure of the enzyme-substrate complex.	The Journal of biological chemistry 20050610
Partial agonists for A(3) adenosine receptors.	Current topics in medicinal chemistry 20040101
Stereoselective synthesis and antiviral activity of D-2',3'-didehydro-2',3'-dideoxy-2'-fluoro-4'-thionucleosides.	Journal of medicinal chemistry 20021024
Structural determinants of A(3) adenosine receptor activation: nucleoside ligands at the agonist/antagonist boundary.	Journal of medicinal chemistry 20020926
Purine analogs as potential anticytomegalovirus agents.	Proceedings of the Society for Experimental Biology and Medicine. Society for Experimental Biology and Medicine (New York, N.Y.) 19690901